9B96
Crystal structure of the human PAD2 protein bound to inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-13 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 202.260, 50.730, 75.560 |
| Unit cell angles | 90.00, 105.08, 90.00 |
Refinement procedure
| Resolution | 97.649 - 1.640 |
| Rwork | 0.172 |
| R-free | 0.21140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.461 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.659 | 1.801 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.054 | 0.864 |
| Rmeas | 0.064 | |
| Rpim | 0.035 | 0.555 |
| Number of reflections | 61124 | 3056 |
| <I/σ(I)> | 13.2 | 1.5 |
| Completeness [%] | 93.6 | 75.3 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.999 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.1M Magnesium acetate, 50mM MES pH5.5, 9-16% 2-methyl 2, 4-pentane diol |
